N-methyl-N-[(4-nitrophenyl)diazenyl]aniline

C13H12N4O2 — CID 4562252

IUPACN-methyl-N-[(4-nitrophenyl)diazenyl]aniline
SMILESCN(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C13H12N4O2/c1-16(12-5-3-2-4-6-12)15-14-11-7-9-13(10-8-11)17(18)19/h2-10H,1H3/b15-14+
InChIKeyALCSAJMCUCMDLJ-CCEZHUSRSA-N
MW256.26 g/mol
LogP3.73
Rot. Bonds4

About N-methyl-N-[(4-nitrophenyl)diazenyl]aniline

N-methyl-N-[(4-nitrophenyl)diazenyl]aniline (PubChem CID 4562252) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-methyl-N-[(4-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(4-nitrophenyl)diazenyl]aniline
PubChem CID4562252
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-methyl-N-[(4-nitrophenyl)diazenyl]aniline
SMILESCN(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C13H12N4O2/c1-16(12-5-3-2-4-6-12)15-14-11-7-9-13(10-8-11)17(18)19/h2-10H,1H3/b15-14+
InChIKeyALCSAJMCUCMDLJ-CCEZHUSRSA-N
XLogP3.73
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

C.I. Solvent Yellow 2
CID 6053
N,N-dimethyl-4-nitrosoaniline
CID 8749
Disperse orange 3
CID 12896
4-Nitrodiphenylamine
CID 13271
N-Methyl-4-nitroaniline
CID 7483
Disperse orange 25
CID 92278
N-Ethyl-4-nitroaniline
CID 19318
N,N-Dimethyl-4-nitroaniline
CID 7491
Disperse red 1
CID 17886
Piperidine, 1-(4-nitrophenyl)-
CID 81049
4-Nitrodiazoaminobenzene
CID 250380
4-Nitrotriphenylamine
CID 350141

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-nitrophenyl)diazenyl]aniline?
The IUPAC name of N-methyl-N-[(4-nitrophenyl)diazenyl]aniline (CID 4562252) is N-methyl-N-[(4-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for N-methyl-N-[(4-nitrophenyl)diazenyl]aniline?
The canonical SMILES for N-methyl-N-[(4-nitrophenyl)diazenyl]aniline is CN(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(4-nitrophenyl)diazenyl]aniline?
The InChIKey is ALCSAJMCUCMDLJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-16(12-5-3-2-4-6-12)15-14-11-7-9-13(10-8-11)17(18)19/h2-10H,1H3/b15-14+.
What are the key properties of N-methyl-N-[(4-nitrophenyl)diazenyl]aniline?
N-methyl-N-[(4-nitrophenyl)diazenyl]aniline has a molecular weight of 256.26 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 4562252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).